CID 22833307

1-propene, tetramer

Structural Information

Molecular Formula
C12H18
SMILES
C/C=C/C/C=C/C/C=C/CC=C
InChI
InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6-7,9-10,12H,1,5,8,11H2,2H3/b6-4+,9-7+,12-10+
InChIKey
RCRMTWBZRLYXQC-FNCTZUPOSA-N
Compound name
(4E,7E,10E)-dodeca-1,4,7,10-tetraene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

162.14085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.148126 139.8
[M+Na]+ 185.130068 146.0
[M-H]- 161.133574 139.3
[M+NH4]+ 180.174673 160.9
[M+K]+ 201.104008 142.0
[M+H-H2O]+ 145.138110 135.1
[M+HCOO]- 207.139051 162.5
[M+CH3COO]- 221.154701 179.9
[M+Na-2H]- 183.115516 144.0
[M]+ 162.14030142 140.4
[M]- 162.14139858 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.